4-[5-(4-methoxyphenyl)carbonyl-6-oxidanyl-2-sulfanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzenecarbonitrile

Systemtic Name: 4-[5-(4-methoxyphenyl)carbonyl-6-oxidanyl-2-sulfanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzenecarbonitrile Openeye Name: 4-[6-hydroxy-5-(4-methoxybenzoyl)-2-thioxo-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzonitrile CAS Name: 4-[6-hydroxy-5-[(4-methoxyphenyl)-oxomethyl]-2-sulfanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzonitrile IUPAC Name: 4-[6-hydroxy-5-(4-methoxybenzoyl)-2-sulfanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzonitrile Traditional Name: 4-[6-hydroxy-5-p-anisoyl-2-thioxo-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzonitrile Formula: C20H16F3N3O3S MolecularWeight: 435.41955

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2C(NC(=S)NC2(C(F)(F)F)O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2C(NC(=S)NC2(C(F)(F)F)O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H16F3N3O3S/c1-29-14-8-6-13(7-9-14)17(27)15-16(12-4-2-11(10-24)3-5-12)25-18(30)26-19(15,28)20(21,22)23/h2-9,15-16,28H,1H3,(H2,25,26,30)